5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-piperidin-4-ylbenzenesulfonamide

C16H20ClN5O2S — CID 142783760

IUPAC5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-piperidin-4-ylbenzenesulfonamide
SMILESCc1nc(N)ncc1-c1cc(C2CCNCC2)c(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C16H20ClN5O2S/c1-9-13(8-21-16(18)22-9)11-6-12(10-2-4-20-5-3-10)15(17)14(7-11)25(19,23)24/h6-8,10,20H,2-5H2,1H3,(H2,18,21,22)(H2,19,23,24)
InChIKeyUFLYTYMICMVJHB-UHFFFAOYSA-N
MW381.89 g/mol
LogP1.80
Rot. Bonds3

About 5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-piperidin-4-ylbenzenesulfonamide

5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-piperidin-4-ylbenzenesulfonamide (PubChem CID 142783760) has the molecular formula C16H20ClN5O2S and a molecular weight of 381.89 g/mol. Its IUPAC name is 5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-piperidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-piperidin-4-ylbenzenesulfonamide
PubChem CID142783760
Molecular FormulaC16H20ClN5O2S
Molecular Weight381.89 g/mol
Exact Mass381.10
IUPAC Name5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-piperidin-4-ylbenzenesulfonamide
SMILESCc1nc(N)ncc1-c1cc(C2CCNCC2)c(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C16H20ClN5O2S/c1-9-13(8-21-16(18)22-9)11-6-12(10-2-4-20-5-3-10)15(17)14(7-11)25(19,23)24/h6-8,10,20H,2-5H2,1H3,(H2,18,21,22)(H2,19,23,24)
InChIKeyUFLYTYMICMVJHB-UHFFFAOYSA-N
XLogP1.80
TPSA123.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-piperidin-4-ylbenzenesulfonamide?
The IUPAC name of 5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-piperidin-4-ylbenzenesulfonamide (CID 142783760) is 5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-piperidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-piperidin-4-ylbenzenesulfonamide?
The canonical SMILES for 5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-piperidin-4-ylbenzenesulfonamide is Cc1nc(N)ncc1-c1cc(C2CCNCC2)c(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-piperidin-4-ylbenzenesulfonamide?
The InChIKey is UFLYTYMICMVJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O2S/c1-9-13(8-21-16(18)22-9)11-6-12(10-2-4-20-5-3-10)15(17)14(7-11)25(19,23)24/h6-8,10,20H,2-5H2,1H3,(H2,18,21,22)(H2,19,23,24).
What are the key properties of 5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-piperidin-4-ylbenzenesulfonamide?
5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-piperidin-4-ylbenzenesulfonamide has a molecular weight of 381.89 g/mol, XLogP of 1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-piperidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 142783760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).